LSORBIT VASP
23 Sep 2024 —

From VaspwikiDescription: Spin-Orbit Coupling (SOC) included self-consistently The Magnetocrystalline Anisotropy Energy is determined by rotating all spins .... LSORBIT = True switches on spin-orbit coupling (SOC) and automatically sets LNONCOLLINEAR = True. It requires using vasp_ncl . SOC couples the ....

Hi Avanish,. For SOC calculations LSORBIT tag works fine, but this tag will not work with the normal vasp setting in the makefile. Here you need .... Hi I've started calculations of system with heavy ions.

So I have to take into account spin - orbit coupling (LSORBIT = T, LNONCOLLINEAR = T .... VASP磁性计算总结篇_共7页-tml LSORBIT-tag http://cms.mpi.univie.ac.at/vasp/vasp/LSORBIT_tag.html问题: ①第一步线性计算得到WAVECAR 和CHGCAR 文件, ....